이름: 3′-[4-(4-chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-biphenyl-3-sulfonic acid tert-butylamide
SMILES:
CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)c2)c1Molecular Processing
Molecular formula
C27H23ClF3N3O2S
Molecular weight
546.01
Exact mass
545.1152
XLogP
7.23
TPSA
71.95
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
138.43
Supplementary Information
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